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14017-78-8 | Phenol, 2,4,6-trimethyl-, phosphite (3:1) (9CI)
CAS No: 14017-78-8 Catalog No: AG001C3G MDL No:
Product Description
Catalog Number:
AG001C3G
Chemical Name:
Phenol, 2,4,6-trimethyl-, phosphite (3:1) (9CI)
CAS Number:
14017-78-8
Molecular Formula:
C27H39O6P
Molecular Weight:
490.5687
IUPAC Name:
phosphorous acid;2,4,6-trimethylphenol
InChI:
InChI=1S/3C9H12O.H3O3P/c3*1-6-4-7(2)9(10)8(3)5-6;1-4(2)3/h3*4-5,10H,1-3H3;1-3H
InChI Key:
SJTORCSDIZYRRT-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)O.Cc1cc(C)c(c(c1)C)O.Cc1cc(C)c(c(c1)C)O.OP(O)O
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.248g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
490.577g/mol
Monoisotopic Mass:
490.248g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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